4,6,8-三硝基喹啉1-氧化物
TL;DR: 4,6,8-三硝基喹啉1-氧化物 (CAS 63041-24-7) is a chemical compound with molecular formula C9H4N4O7 and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,8-三硝基喹啉1-氧化物
4,6,8-trinitro-1-oxidoquinolin-1-ium
Also Known As: Quinoline, 4,6,8-trinitro-, 1-oxide, 4,6,8-trinitro-1-oxidoquinolin-1-ium, 4,6,8-Trinitro-1-oxo-1lambda~5~-quinoline
| Molecular Formula | C9H4N4O7 |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.008 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 63041-24-7 |
|---|---|
| SMILES | C1=C[N+](=C2C(=CC(=CC2=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-] |
| InChIKey | YFAQQXPXXGEXSD-UHFFFAOYSA-N |
Product Overview
4,6,8-三硝基喹啉1-氧化物 (CAS 63041-24-7), with molecular formula C9H4N4O7 and molecular weight 280.01 g/mol. IUPAC: 4,6,8-trinitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 4,6,8-三硝基喹啉1-氧化物
Property Insights of 4,6,8-三硝基喹啉1-氧化物
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,8-三硝基喹啉1-氧化物. The TPSA of 163.0 Ų indicates high polarity, suggesting 4,6,8-三硝基喹啉1-氧化物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6,8-三硝基喹啉1-氧化物 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6,8-三硝基喹啉1-氧化物?
The CAS number of 4,6,8-三硝基喹啉1-氧化物 is 63041-24-7.
What is the molecular formula of 4,6,8-三硝基喹啉1-氧化物?
The molecular formula of 4,6,8-三硝基喹啉1-氧化物 is C9H4N4O7.
What is the molecular weight of 4,6,8-三硝基喹啉1-氧化物?
The molecular weight of 4,6,8-三硝基喹啉1-氧化物 is 280.01 g/mol.
Where can I buy 4,6,8-三硝基喹啉1-氧化物?
You can request a quote for 4,6,8-三硝基喹啉1-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6,8-三硝基喹啉1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4,6,8-三硝基喹啉1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.